Structure of PDB 1xpu Chain B Binding Site BS05

Receptor Information
>1xpu Chain B (length=408) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNLTELKNTPVSELITLGENMGLENLARMRKQDIIFAILKQHAKSGEDIF
GDGVLEILQDGFGFLRSADSSYLAGPDDIYVSPSQIRRFNLRTGDTISGK
IRPPKEGERYFALLKVNEVNFDKPENNKILFENLTPLHANSRLRMGSTED
LTARVLDLASPIGRGQRGLIVAPPKAGKTMLLQNIAQSIAYNHPDCVLMV
LLIDERPEEVTEMQRLVKGEVVASTFDEPASRHVQVAEMVIEKAKRLVEH
KKDVIILLDSITRLARAYNTVVPAVLTGGVDANALHRPKRFFGAARNVEE
GGSLTIIATALIDTGSKMDEVIYEEFKGTGNMELHLSRKIAEKRVFPAID
YNRSGTRKEELLTTQEELQKMWILRKIIHPMGEIDAMEFLINKLAMTKTN
DDFFEMMK
Ligand information
Ligand IDFPD
InChIInChI=1S/C19H24N2O8S/c1-17(27,10-23)14(24)19-16(26)20-18(28,15(25)21-19)12(5-6-29-19)9-30-13-4-2-3-11(7-13)8-22/h2-4,7-8,12,14,23-24,27-28H,5-6,9-10H2,1H3,(H,20,26)(H,21,25)/t12-,14-,17-,18+,19-/m0/s1
InChIKeyLVFCJUVYCSPOOY-KRJMWWHISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@]([C@@H](CCO1)CSc3cccc(c3)C=O)(C(=O)N2)O)O)O
CACTVS 3.341C[C@](O)(CO)[C@H](O)[C@@]12NC(=O)[C@@](O)(NC1=O)[C@@H](CCO2)CSc3cccc(C=O)c3
OpenEye OEToolkits 1.5.0CC(CO)(C(C12C(=O)NC(C(CCO1)CSc3cccc(c3)C=O)(C(=O)N2)O)O)O
CACTVS 3.341C[C](O)(CO)[CH](O)[C]12NC(=O)[C](O)(NC1=O)[CH](CCO2)CSc3cccc(C=O)c3
ACDLabs 10.04O=Cc3cc(SCC1C2(O)NC(=O)C(OCC1)(NC2=O)C(O)C(O)(C)CO)ccc3
FormulaC19 H24 N2 O8 S
Name5A-(3-FORMYLPHENYLSULFANYL)-DIHYDROBICYCLOMYCIN
ChEMBL
DrugBank
ZINCZINC000014979166
PDB chain1xpu Chain C Residue 3701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xpu Structural mechanism of inhibition of the rho transcription termination factor by the antibiotic bicyclomycin
Resolution3.05 Å
Binding residue
(original residue number in PDB)		K336 G337 E342 R366
Binding residue
(residue number reindexed from 1)		K327 G328 E333 R357
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003723 RNA binding
GO:0004386 helicase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008186 ATP-dependent activity, acting on RNA
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0042802 identical protein binding
Biological Process
GO:0006353 DNA-templated transcription termination
Cellular Component
GO:0005829 cytosol
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1xpu, PDBe:1xpu, PDBj:1xpu
PDBsum1xpu
PubMed15642265
UniProtP0AG30|RHO_ECOLI Transcription termination factor Rho (Gene Name=rho)

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